(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine

C22H21Cl2NO — CID 51990873

IUPAC(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H21Cl2NO/c1-16(18-7-3-2-4-8-18)25-14-19-9-5-6-10-22(19)26-15-17-11-12-20(23)21(24)13-17/h2-13,16,25H,14-15H2,1H3/t16-/m1/s1
InChIKeyONEYKFALLFFHCY-MRXNPFEDSA-N
MW386.32 g/mol
LogP6.42
Rot. Bonds7

About (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine

(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine (PubChem CID 51990873) has the molecular formula C22H21Cl2NO and a molecular weight of 386.32 g/mol. Its IUPAC name is (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
PubChem CID51990873
Molecular FormulaC22H21Cl2NO
Molecular Weight386.32 g/mol
Exact Mass385.10
IUPAC Name(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H21Cl2NO/c1-16(18-7-3-2-4-8-18)25-14-19-9-5-6-10-22(19)26-15-17-11-12-20(23)21(24)13-17/h2-13,16,25H,14-15H2,1H3/t16-/m1/s1
InChIKeyONEYKFALLFFHCY-MRXNPFEDSA-N
XLogP6.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
(1R)-N-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 51995684
(1R)-N-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
CID 51995102
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715547
(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761543
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 51988789
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine (CID 51990873) is (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine is C[C@@H](NCc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The InChIKey is ONEYKFALLFFHCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21Cl2NO/c1-16(18-7-3-2-4-8-18)25-14-19-9-5-6-10-22(19)26-15-17-11-12-20(23)21(24)13-17/h2-13,16,25H,14-15H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine has a molecular weight of 386.32 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 51990873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).